MDPI-ZINC03847202 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 1 0 0 0 0 0999 V2000 -0.2620 1.3490 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -0.0630 0.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -0.5770 -1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 0.1970 -2.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 -0.4090 -3.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 -1.8120 -3.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -2.5870 -2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -1.9820 -1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6680 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -4.0850 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5540 -2.4820 -4.3360 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0850 -3.4480 -4.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 -1.6090 -5.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 0.4600 -4.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5650 -0.4300 -5.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9610 -1.6790 -4.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0210 -2.6890 -3.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4330 -3.8630 -3.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7710 -4.0420 -2.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6890 -3.0380 -3.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3040 -1.8680 -3.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0100 -3.1950 -2.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3090 -5.1290 -2.3380 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 -6.1590 -1.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 1.8240 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 1.7590 -0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 1.5720 1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 1.2820 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -3.6680 -2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -4.4550 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -4.5220 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -4.4010 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9680 -2.0370 -6.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -1.4150 -5.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 0.9530 -4.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9790 1.2350 -3.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9080 0.4700 -4.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0320 -0.4530 -6.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 -4.6210 -3.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0580 -1.1200 -4.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0560 -4.0640 -2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6530 -5.7840 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9360 -6.6160 -2.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9820 -6.9360 -1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 -0.2720 -5.2970 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0030 0.3110 -6.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 45 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END